ethyl (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethanoate

Systemtic Name: ethyl (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethanoate Openeye Name: ethyl (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(azepan-1-ium-1-yl)-2-phenylacetate Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-acetic acid ethyl ester Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)[NH+]2CCCCCC2

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=CC=C1)[NH+]2CCCCCC2

InChI

InChI=1S/C16H23NO2/c1-2-19-16(18)15(14-10-6-5-7-11-14)17-12-8-3-4-9-13-17/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3/p+1/t15-/m1/s1